3-(8-chloranyl-2-oxidanylidene-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)benzoic acid

Systemtic Name: 3-(8-chloranyl-2-oxidanylidene-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)benzoic acid Openeye Name: 3-(8-chloro-2-oxo-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)benzoic acid CAS Name: 3-(8-chloro-2-oxo-5-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]yl)benzoic acid IUPAC Name: 3-(8-chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)benzoic acid Traditional Name: 3-(8-chloro-2-keto-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)benzoic acid Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C3=C(C=CC(=C3NC(=O)N2)Cl)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1CCC2(CC1)C3=C(C=CC(=C3NC(=O)N2)Cl)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C20H19ClN2O3/c21-15-8-7-14(12-5-4-6-13(11-12)18(24)25)16-17(15)22-19(26)23-20(16)9-2-1-3-10-20/h4-8,11H,1-3,9-10H2,(H,24,25)(H2,22,23,26)